1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline
TL;DR: 1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline (CAS 137975-19-0) is a chemical compound with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-quinolin-1-yl-(3-nitrophenyl)methanone
Also Known As: 1-(3-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline, 3-nitrophenyl 1,2,3,4-tetrahydroquinolyl ketone, 1-{3-nitrobenzoyl}-1,2,3,4-tetrahydroquinoline, 1-(3-NITROBENZOYL)-3,4-DIHYDRO-2H-QUINOLINE, 3,4-dihydroquinolin-1(2H)-yl(3-nitrophenyl)methanone
| Molecular Formula | C16H14N2O3 |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.10043 |
| Heavy Atoms | 21 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 137975-19-0 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | JEFAEVLMNMGRDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline (CAS 137975-19-0), with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol. IUPAC: 3,4-dihydro-2H-quinolin-1-yl-(3-nitrophenyl)methanone.
Chemical Property Profile of 1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline
Property Insights of 1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline
The XLogP value of 3.2 indicates that 1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline. Following Lipinski's Rule of Five, 1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline?
The CAS number of 1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline is 137975-19-0.
What is the molecular formula of 1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline?
The molecular formula of 1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline is C16H14N2O3.
What is the molecular weight of 1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline?
The molecular weight of 1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline is 282.10 g/mol.
Where can I buy 1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline?
You can request a quote for 1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitrobenzoyl)-1,2,3,4-tetrahydroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.